Abstract
Most biological processes involve multiple proteins interacting with each other. It has been recently discovered that certain residues in these protein-protein interactions, which are called hot spots, contribute more significantly to binding affinity than others. Hot spot residues have unique and diverse energetic properties that make them challenging yet important targets in the modulation of proteinprotein complexes. Design of therapeutic agents that interact with hot spot residues has proven to be a valid methodology in disrupting unwanted protein-protein interactions. Using biological methods to determine which residues are hot spots can be costly and time consuming. Recent advances in computational approaches to predict hot spots have incorporated a myriad of features, and have shown increasing predictive successes. Here we review the state of knowledge around protein-protein interactions, hot spots, and give an overview of multiple in silico prediction techniques of hot spot residues.
Keywords: Protein-protein interactions, hot spot residues, structure-based drug discovery, in silico prediction, alanine scanning, TRAF6
Current Pharmaceutical Design
Title: Computational Prediction of Protein Hot Spot Residues
Volume: 18 Issue: 9
Author(s): John Kenneth Morrow and Shuxing Zhang
Affiliation:
Keywords: Protein-protein interactions, hot spot residues, structure-based drug discovery, in silico prediction, alanine scanning, TRAF6
Abstract: Most biological processes involve multiple proteins interacting with each other. It has been recently discovered that certain residues in these protein-protein interactions, which are called hot spots, contribute more significantly to binding affinity than others. Hot spot residues have unique and diverse energetic properties that make them challenging yet important targets in the modulation of proteinprotein complexes. Design of therapeutic agents that interact with hot spot residues has proven to be a valid methodology in disrupting unwanted protein-protein interactions. Using biological methods to determine which residues are hot spots can be costly and time consuming. Recent advances in computational approaches to predict hot spots have incorporated a myriad of features, and have shown increasing predictive successes. Here we review the state of knowledge around protein-protein interactions, hot spots, and give an overview of multiple in silico prediction techniques of hot spot residues.
Export Options
About this article
Cite this article as:
Kenneth Morrow John and Zhang Shuxing, Computational Prediction of Protein Hot Spot Residues, Current Pharmaceutical Design 2012; 18 (9) . https://dx.doi.org/10.2174/138161212799436412
DOI https://dx.doi.org/10.2174/138161212799436412 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
Call for Papers in Thematic Issues
"Tuberculosis Prevention, Diagnosis and Drug Discovery"
The Nobel Prize-winning discoveries of Mycobacterium tuberculosis and streptomycin have enabled an appropriate diagnosis and an effective treatment of tuberculosis (TB). Since then, many newer diagnosis methods and drugs have been saving millions of lives. Despite advances in the past, TB is still a leading cause of infectious disease mortality ...read more
Current Pharmaceutical challenges in the treatment and diagnosis of neurological dysfunctions
Neurological dysfunctions (MND, ALS, MS, PD, AD, HD, ALS, Autism, OCD etc..) present significant challenges in both diagnosis and treatment, often necessitating innovative approaches and therapeutic interventions. This thematic issue aims to explore the current pharmaceutical landscape surrounding neurological disorders, shedding light on the challenges faced by researchers, clinicians, and ...read more
Emerging and re-emerging diseases
Faced with a possible endemic situation of COVID-19, the world has experienced two important phenomena, the emergence of new infectious diseases and/or the resurgence of previously eradicated infectious diseases. Furthermore, the geographic distribution of such diseases has also undergone changes. This context, in turn, may have a strong relationship with ...read more
Melanoma and Non-Melanoma Skin Cancer Treatment: Standard of Care and Recent Advances
In this thematic issue, we aim to provide a standard of care of the diagnosis and treatment of melanoma and non-melanoma skin cancer. The editor will invite authors from different countries who will write review articles of melanoma and non-melanoma skin cancers. The Diagnosis, Staging, Surgical Treatment, Non-Surgical Treatment all ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Study About the Knowledge and Attitudes of the Portuguese Population About Food Fibres
Current Nutrition & Food Science 13C Metabolomics: NMR and IROA for Unknown Identification
Current Metabolomics Targeted Vascular Drug Delivery in Cerebral Cancer
Current Pharmaceutical Design Electrochemical, Antimicrobial and Anticancer Effects of Ethyl Cellulose- Nickel(II) Hydrogen Phosphate
Innovations in Corrosion and Materials Science (Discontinued) Cytotoxic Thiol Alkylators
Mini-Reviews in Medicinal Chemistry Synthesis of (6,7-dimethoxy-2-oxo-2H-chromen-4-yl)methyl 3-Arylacrylates as Water Soluble Antitumor Agents
Letters in Drug Design & Discovery The Isoprostanes - Unique Products of Arachidonate Peroxidation: Their Role as Mediators of Oxidant Stress
Current Pharmaceutical Design Hydromorphone: Analytical Methodologies for its Determination
Current Analytical Chemistry Synthesis, <i>In Vitro</i> Evaluation, Molecular Docking and DFT Studies of Some Phenyl Isothiocyanates as Anticancer Agents
Anti-Cancer Agents in Medicinal Chemistry The Role of Insulin Receptor Isoforms and Hybrid Insulin/IGF-I Receptors in Human Cancer
Current Pharmaceutical Design Predicting Protein Submitochondrial Locations: The 10th Anniversary
Current Genomics Evaluation of Herbal Medicines: Value Addition to Traditional Medicines Through Metabolism, Pharmacokinetic and Safety Studies
Current Drug Metabolism Genotoxicity in Alzheimers Disease: Role of Amyloid
Current Alzheimer Research Critical Review of Malondialdehyde Analysis in Biological Samples
Current Pharmaceutical Analysis Melatonin Receptor Agonists: SAR and Applications to the Treatment of Sleep-Wake Disorders
Current Topics in Medicinal Chemistry Postoperative Thoracic Epidural Anesthesia in Gastrointestinal Surgery: Outcomes, Quality of Life, and Current Controversies
Current Drug Therapy Prediction of Nitration Sites Based on FCBF Method and Stacking Ensemble Model
Current Proteomics Advances in Anticancer Antibody-Drug Conjugates and Immunotoxins
Recent Patents on Anti-Cancer Drug Discovery Melatonin Attenuates Methamphetamine-Induced Neurotoxicity
Current Pharmaceutical Design Current Strategies for Probing Substrate Specificity of Proteases
Current Medicinal Chemistry